COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.975  -3.139  -2.210  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.527  -0.958  -1.170  1.00  0.00           N  
HETATM    3  O   UNL     1       1.494  -2.177  -1.290  1.00  0.00           O  
HETATM    4  S   UNL     1      -5.104   0.050   0.168  1.00  0.00           S  
HETATM    5  C   UNL     1       0.515  -1.639  -0.398  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.628  -0.407   0.676  1.00  0.00           O  
HETATM    7  S   UNL     1       2.535  -1.467   1.438  1.00  0.00           S  
HETATM    8  C   UNL     1      -1.561  -0.371  -0.535  1.00  0.00           C  
HETATM    9  N   UNL     1       1.695   0.483  -0.219  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.634   0.329  -1.328  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.665   0.896  -0.387  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.289  -2.963   0.336  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.628   2.115   0.151  1.00  0.00           C  
HETATM   14  O   UNL     1       3.983   3.014  -0.730  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.689   2.417   0.987  1.00  0.00           C  
HETATM   16  OXT UNL     1       2.265   2.466  -2.022  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.588   1.442   1.128  1.00  0.00           C  
HETATM   18  C   UNL     1       1.183  -0.641   0.549  1.00  0.00           C  
HETATM   19  C   UNL     1       3.402  -0.044   2.179  1.00  0.00           C  
HETATM   20  C   UNL     1       3.756   0.892   1.041  1.00  0.00           C  
HETATM   21  C   UNL     1       4.947   1.480   1.000  1.00  0.00           C  
HETATM   22  CA  UNL     1       2.769   1.141  -0.018  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.101  -2.757   0.403  1.00  0.00           C  
HETATM   24  C   UNL     1       3.048   2.270  -0.945  1.00  0.00           C  
HETATM   25  H   UNL     1       0.627  -4.015  -1.662  1.00  0.00           H  
HETATM   26  H   UNL     1       0.144  -2.702  -2.763  1.00  0.00           H  
HETATM   27  H   UNL     1       1.760  -3.435  -2.907  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.474  -0.930  -2.138  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.187   1.137  -1.908  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.109  -0.382  -2.003  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.830   2.815  -0.050  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.781   3.369   1.488  1.00  0.00           H  
HETATM   33  HXT UNL     1       2.486   3.213  -2.595  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.477   1.498   1.738  1.00  0.00           H  
HETATM   35  H   UNL     1       0.447  -0.278   1.268  1.00  0.00           H  
HETATM   36  H   UNL     1       2.748   0.462   2.889  1.00  0.00           H  
HETATM   37  H   UNL     1       4.309  -0.381   2.681  1.00  0.00           H  
HETATM   38  H   UNL     1       5.630   1.375   1.830  1.00  0.00           H  
HETATM   39  H   UNL     1       5.232   2.064   0.137  1.00  0.00           H  
HETATM   40  H   UNL     1       0.519  -3.373   1.037  1.00  0.00           H  
CONECT    1    3   25   26   27                                       
CONECT    2    5    8   28                                            
CONECT    3    1    5                                                 
CONECT    4   11   17                                                 
CONECT    5    2    3   18   23                                       
CONECT    6    8    8                                                 
CONECT    7   19   18                                                 
CONECT    8    2    6    6   10                                       
CONECT    9   18   22   22                                            
CONECT   10    8   11   29   30                                       
CONECT   11    4   10   13   13                                       
CONECT   12   23   23                                                 
CONECT   13   11   11   15   31                                       
CONECT   14   24   24                                                 
CONECT   15   13   17   17   32                                       
CONECT   16   24   33                                                 
CONECT   17    4   15   15   34                                       
CONECT   18    5    7    9   35                                       
CONECT   19    7   20   36   37                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20   38   39                                       
CONECT   22    9    9   20   24                                       
CONECT   23    5   12   12   40                                       
CONECT   24   14   14   16   22                                       
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   13                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   23                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
